Lignin_cw_compound_2060 (C39 H36 O10)

bmse010488 Data

Entry STAR file: bmse010488.str

NMR-STAR interactive viewer

Authors: Sally Ralph, John Ralph, Larry L. Landucci

From: NMR Database of Lignin and Cell Wall Model Compounds.

Natural Isotopic formula weight: 664.69714

This is of the category: Tetramers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

Lignin_cw_compound_2060 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C32B50.401
C2A3OMe55.901
C1A4OMe55.901
C3B3OMe56.031
C20BG65.191
C24G65.381
C38A88.861
C23A2109.311
C22B2110.671
C17A5111.061
C19DB114.531
C18CB115.141
C21B6115.391
C15D3115.933
C16D5115.833
C13C3115.963
C14C5115.963
C12A6118.911
C4BB121.371
C26D1126.751
C25C1126.981
C21B5127.791
C6C2130.003
C7C6130.003
C8D2130.063
C9D6130.063
C27B1130.621
C28A1132.861
C5BA134.271
C35B3144.401
C10CA144.941
C11DA145.401
C39B4148.271
C34A3149.141
C33A4149.171
C30D4158.051
C29C4158.231
C36CG167.201
C37DG167.371

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C32B49.471
C2A3OMe55.481
C1A4OMe55.761
C3B3OMe55.821
C20BG64.461
C24G64.801
C38A87.871
C23A2110.011
C22B2111.031
C17A5111.671
C18DB113.681
C19CB114.051
C21B6115.311
C13D3115.773
C14D5115.773
C15C3115.773
C16C5115.773
C12A6118.661
C4BB121.561
C25D1124.941
C26C1125.081
C21B5128.081
C8C2130.343
C9C6130.343
C6D2130.343
C7D6130.343
C27B1130.061
C28A1133.611
C5BA132.791
C35B3143.911
C11CA144.891
C10DA145.131
C39B4147.651
C34A3148.721
C33A4148.811
C29D4159.871
C30C4159.941
C37CG166.381
C36DG166.381
H55A3OMe3.771
H54A3OMe3.771
H53A3OMe3.771
H52A4OMe3.771
H51A4OMe3.771
H50A4OMe3.771
H82B3.851
H57B3OMe3.881
H56B3OMe3.881
H58B3OMe3.881
H80G14.452
H81G24.582
H75BG4.782
H76BG4.782
H83a5.611
H52BB6.311
H73DB6.331
H74CB6.371
H60BA6.701
H70C36.883
H71C56.883
H68D36.883
H69D56.883
H72A56.931
H67A67.001
H79A27.071
H78B27.071
H77B67.111
H61D27.513
H62D67.513
H63C27.543
H64C67.543
H66CA7.631
H65DA7.531

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C32B49.471
C2A3OMe55.481
C1A4OMe55.761
C3B3OMe55.821
C20BG64.461
C24G64.801
C38A87.871
C23A2110.011
C22B2111.031
C17A5111.671
C19DB113.681
C18CB114.051
C21B6115.311
C15D3115.773
C16D5115.773
C13C3115.773
C14C5115.773
C12A6118.661
C4BB121.561
C26D1124.941
C25C1125.081
C21B5128.081
C6C2130.343
C7C6130.343
C8D2130.343
C9D6130.343
C27B1130.061
C28A1133.611
C5BA132.791
C35B3143.911
C10CA144.891
C11DA145.131
C39B4147.651
C34A3148.721
C33A4148.811
C30D4159.871
C29C4159.941
C36CG166.381
C37DG166.381